chempirical

2-Aminobenzonitrile

C7H6N2CAS 1885-29-6118.14 g/mol

Open in Covalent MOL file
NH2N
NitrilePrimary amine

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
Melting point
51 °C
Boiling point
263 °C
logP
1.14Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
1885-29-6
SMILES
N#Cc1ccccc1N
InChIKey
HLCPWBZNUKCSBN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzonitrile, 2-amino-
  • Anthranilonitrile
  • o-Aminobenzonitrile
  • 2-Cyano-1-aminobenzene
  • 2-Cyanoaniline
  • o-Cyanoaniline
  • 2-Cyanophenylamine
  • 1-Amino-2-cyanobenzene

Work with 2-Aminobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phthalonitrile91-15-660 % similar 2-Amino-4-methylbenzonitrile26830-96-657 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-157 % similar 2-Amino-4-chlorobenzonitrile38487-86-452 % similar 2-Amino-5-bromobenzonitrile39263-32-652 % similar 2-Amino-5-chlorobenzonitrile5922-60-152 % similar 2-Amino-3-bromobenzonitrile114344-60-448 % similar 2-Amino-3-chlorobenzonitrile53312-77-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 3-Methyl-2-pyridinecarbonitrile20970-75-6 3-Aminobenzonitrile2237-30-1 1H-Pyrrolo[2,3-C]pyridine271-29-4

Elsewhere

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